[
  {
    "molid": "mol32076",
    "smiles": "NC(Cc1ccc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@@H](Cc1ccc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C(=O)[O-]",
        "std_free_energy": -7.393265724182129,
        "relative_population": 0.9717012211183818
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[NH3+][C@@H](Cc1ccc([N+](=O)[O-])c([O-])c1[N+](=O)[O-])C(=O)[O-]",
        "std_free_energy": -10.581256866455078,
        "relative_population": 0.9855969346529665
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]